(Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine

C12H23N — CID 15339509

IUPAC(Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine
SMILESC=C(/C=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-9(11(2,3)4)8-10(13)12(5,6)7/h8H,1,13H2,2-7H3/b10-8-
InChIKeyFVIYLMLHZNYGNW-NTMALXAHSA-N
MW181.32 g/mol
LogP3.48
Rot. Bonds1

About (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine

(Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine (PubChem CID 15339509) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine
PubChem CID15339509
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine
SMILESC=C(/C=C(\N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-9(11(2,3)4)8-10(13)12(5,6)7/h8H,1,13H2,2-7H3/b10-8-
InChIKeyFVIYLMLHZNYGNW-NTMALXAHSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethylxylidine
CID 70257503
(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170034
(3Z,5E,8Z)-2-fluoro-2,6,7-trimethyldeca-3,5,8-trien-3-amine
CID 130390736
(3E,5E)-6-tert-butyl-4-fluoro-2,2-dimethylnona-3,5-dien-3-amine
CID 134415122
(2E,4E)-3-tert-butyl-5-fluorohexa-2,4-dien-2-amine
CID 138495027
(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine
CID 146377667
(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine
CID 163496500
(5R)-5-(fluoromethyl)-4,5-dimethylcyclopenta-1,3-dien-1-amine
CID 164076914
2,3-Dimethylxylidin
CID 129889530
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine
CID 67558127
1-(3-Tert-butylcyclopenta-2,4-dien-1-ylidene)ethanamine
CID 67558131
3,3-Dimethylcyclohexa-1,5-dien-1-amine
CID 68378504

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine?
The IUPAC name of (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine (CID 15339509) is (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine.
What is the SMILES notation for (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine?
The canonical SMILES for (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine is C=C(/C=C(\N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine?
The InChIKey is FVIYLMLHZNYGNW-NTMALXAHSA-N. The full InChI is InChI=1S/C12H23N/c1-9(11(2,3)4)8-10(13)12(5,6)7/h8H,1,13H2,2-7H3/b10-8-.
What are the key properties of (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine?
(Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,6,6-tetramethyl-5-methylidenehept-3-en-3-amine is sourced from PubChem (CID 15339509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).